Neotussilagine (CHEBI:179100)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Neotussilagine

ChEBI ID	CHEBI:179100

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H17NO3

Net Charge

Average Mass

199.250

Monoisotopic Mass

199.12084

InChI

InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3

InChIKey

LADVYSUMGRTFSZ-UHFFFAOYSA-N

SMILES

OC1(C(C2N(C1)CCC2)C(OC)=O)C

ChEBI Ontology
Outgoing	Neotussilagine (CHEBI:179100) is a pyrrolizines (CHEBI:38522)

IUPAC Name

methyl 2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate